4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine

C13H19NO — CID 79591542

IUPAC4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine
SMILESCOc1ccc(C(C)=CCCN)c(C)c1
InChIInChI=1S/C13H19NO/c1-10(5-4-8-14)13-7-6-12(15-3)9-11(13)2/h5-7,9H,4,8,14H2,1-3H3
InChIKeyZUXLXSRTDCBHMW-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.76
Rot. Bonds4

About 4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine

4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine (PubChem CID 79591542) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine
PubChem CID79591542
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine
SMILESCOc1ccc(C(C)=CCCN)c(C)c1
InChIInChI=1S/C13H19NO/c1-10(5-4-8-14)13-7-6-12(15-3)9-11(13)2/h5-7,9H,4,8,14H2,1-3H3
InChIKeyZUXLXSRTDCBHMW-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)pent-3-en-1-amine
CID 76997387
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
(E)-4-(2,4-dimethoxyphenyl)-5-methylhex-3-en-1-amine
CID 95460067
4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine
CID 79590011
4-(2,5-dimethylfuran-3-yl)pent-3-en-1-amine
CID 76997431
N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride
CID 119384390
2-(aminomethyl)-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 116573984
4-methoxy-2-methyl-1-[(2Z)-4-(3-methylphenyl)hexa-2,4-dien-2-yl]benzene
CID 173497547
5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79591009
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
2-amino-1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-one
CID 116552805

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine (CID 79591542) is 4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine is COc1ccc(C(C)=CCCN)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine?
The InChIKey is ZUXLXSRTDCBHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(5-4-8-14)13-7-6-12(15-3)9-11(13)2/h5-7,9H,4,8,14H2,1-3H3.
What are the key properties of 4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine?
4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)pent-3-en-1-amine is sourced from PubChem (CID 79591542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).